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SSRN 2022年

作者： Hannongbua, Supot Kanjamapornkul, Kabin Rungrotmongkol, Thanyada Department of Chemistry Faculty of Science Chulalongkorn University Bangkok10330 Thailand Biocatalyst and Environmental Biotechnology Research Unit Department of Biochemistry Faculty of Science Chulalongkorn University Bangkok10330 Thailand Program in Bioinformatics and Computational Biology Graduate School Chulalongkorn University Bangkok10330 Thailand

The continuity equation for the invariant gauge field of Deltacron was investigated from the replication and recombination of Delta with Omicron. The new definition of left translation of the invariant gauge field in the quantum genotype of virus and host cell was introduced. The Yang-Mills field in genetic code is an induced curvature in the parallel transport of a unified field between hydrogen bonding between three types of biomolecules. where we defined the invariant gauge field in quantum genotype. This issue allows us to identify the Poincare duality between the nteraction between the behavior field of gene expression in parasitism state and in the curvature of connection in fiber space of Spike protein folding molecule. The Chern Simons current is the anti-self-dual state of mutation between two types of interactive behavior fields in The recombination process of Deltacron was used to plot the Yang-Mills curvature directly from the underlying genetic codes. Further analysis shows that the difference between the tensor correlation with various times of Deltacron the change slope of Omicron BA.1 to the flat curve of the network correlation and closedness centrality of amino acids in receptor binding domain of Spike protein. © 2022, The Authors. All rights reserved.

关键词： Gene expression

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Genome data mining approach to identify potential protein in crop plants

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AIP Conference Proceedings 2024年第1期3026卷

作者： Joko Pebrianto Trinugroho Faisal Asadi Bens Pardamean Bioinformatics & Data Science Research Center Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program - Master of Computer Science Program Bina Nusantara University Jakarta Indonesia 11480

There is a need to produce more crop plants to meet the future global demand. However, the climate change has affected the global crop yield. Consequently, finding an alternative approach to improve crop yield becomes essential. The development of sequencing techniques, as well as information technologies, have enabled us to perform genome data mining. Using genome data mining approach, it is possible to identify or discover a protein which has a particular characteristic. This study aims to identify a protein, which could potentially improve crop yield, using genome data mining approach. D1 protein was used as the target, as this protein is highly involved in photosynthesis. Then, protein sequences of various crop plants were collected from biological database. After conducting data trimming and filtering, sequence analysis was performed. The analysis was used to construct phylogenetic tree and create a 3D protein model. Sequence analysis displayed variation in amino acid sequence in D1 protein. Protein modelling located the variations, which scattered within D1 protein. Furthermore, we highlighted the amino acid residues that are the targets for genetic engineering. The research findings may provide a reference to improve crop production through genome mining approach.

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SAGE-Amine: Generative Amine design with multi-property optimization for efficient CO 2 capture

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Carbon Capture Science & Technology 2025年 16卷

作者： Hocheol Lim Hyein Cho Jeonghoon Kim Kyoung Tai No Bioinformatics and Molecular Design Research Center (BMDRC) Incheon 21983 Republic of Korea The Interdisciplinary Graduate Program in Integrative Biotechnology & Translational Medicine Yonsei University Incheon 21983 Republic of Korea

Efficient CO 2 capture is vital for mitigating climate change, with amine-based solvents being widely used due to their strong reactivity with CO 2 . However, optimizing key properties such as basicity, viscosity, and absorption capacity remains challenging, as traditional methods rely on labor-intensive experimentation and predefined chemical databases, limiting the exploration of novel solutions. Here, SAGE-Amine was introduced, a generative modeling approach that integrates Scoring-Assisted Generative Exploration (SAGE) with quantitative structure-property relationship models to design new amines tailored for CO 2 capture. Unlike conventional virtual screening restricted to existing compounds, SAGE-Amine generates novel amines by leveraging autoregressive natural language processing models trained on amine datasets. SAGE-Amine identified known amines for CO 2 capture from scratch and successfully performed single-property optimization, increasing basicity or reducing viscosity or vapor pressure. Furthermore, it facilitated multi-property optimization, simultaneously achieving high basicity with low viscosity and vapor pressure. The 10 top-ranked amines were suggested using SAGE-Amine and their thermodynamic properties were further assessed using COSMO-RS simulations, confirming their potential for CO 2 capture. These results highlight the potential of generative modeling in accelerating the discovery of amine solvents and expanding the possibilities for industrial CO 2 capture applications.

关键词： Material discovery De novo molecular design Quantitative structure-property relationship Solvent design Amine design

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Current situation and future perspectives for the use of fungi in the biomaterial industry and proposal for a new classification of fungal-derived materials

PeerJ Materials Science

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PeerJ Materials Science 2023年 5卷 e31-e31页

作者： Sierra, Luz Alba Ballen Mendes-Pereira, Thairine García, Glen Jasper Yupanqui Werkhaizer, Carla Queiroga de Rezende, Juliana B. Rodrigues, Thiago Augusto Borges Badotti, Fernanda de Carvalho Cardoso, Emanuelle Santos da Costa, Andréa Miura Uetanabaro, Ana Paula Aguilar, Maria Teresa Góes-Neto, Aristóteles Department of Microbiology Universidade Federal de Minas Gerais MG Belo Horizonte Brazil Graduate Program in Bioinformatics Universidade Federal de Minas Gerais MG Belo Horizonte Brazil Graduate Program of Technological Innovation Universidade Federal de Minas Gerais MG Belo Horizonte Brazil Department of Chemistry Centro Federal de Educação Tecnológica de Minas Gerais MG Belo Horizonte Brazil Department of Biological Science Universidade Estadual de Santa Cruz BA Ilhéus Brazil School of Engineering Universidade Federal de Minas Gerais MG Belo Horizonte Brazil

The potential applications of fungi in the development of new biomaterials derived from fungal mycelium have captured the attention from both the scientific community and the society. The notable ability of mycelium networks to self-construct and aggregate can be used to produce diverse biomaterials. These biomaterials can be created in a pure state, or both in conjunction with other organic/inorganic compounds. Recent advancements in mycomaterials have gained attention due to their sustainability and mechanical, thermogravimetric, and compression properties. Such properties contribute to reducing the reliance on environmentally problematic substrates within the industry. After a standardized and comprehensive review of publications on mycomaterials across different fields, such as biology, health, agriculture, engineering, and material sciences, we detected that publications on this theme are utterly scattered. This critical review enabled us to also propose a novel classification system for these fungal-derived materials to help to structure and standardize this emerging transdisciplinary field of knowledge. Copyright 2023 Sierra et al.

关键词： Mycelium

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Insights into the binding interactions of Macitentan to bovine serum Albumin: A Spectroscopic, electrochemical and computational study

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Journal of Molecular Liquids 2025年 429卷

作者： Sadak, Selenay Dindar, Çiğdem Kanbeş Kabir, Md.Zahirul Rehman, Fazal Mohamad, Saharuddin B. Yildirim, Sercan Uslu, Bengi Ankara University Faculty of Pharmacy Department of Analytical Chemistry Ankara06560 Turkey Ankara University The Graduate School of Health Sciences Ankara06110 Turkey Biochemistry Program Institute of Biological Sciences Faculty of Science University Malaya Kuala Lumpur Malaysia Faculty of Science Bioinformatics Programme Institute of Biological Sciences Malaysia Centre of Research for Computational Sciences and Informatics for Biology Bioindustry Environment Agriculture and Healthcare University of Malaya Kuala Lumpur Malaysia Karadeniz Technical University Faculty of Pharmacy Department of Analytical Chemistry Trabzon Turkey

Macitentan (MACI) is an endothelial receptor antagonist used to treat pulmonary arterial hypertension (PAH). The pharmacokinetics and therapeutic efficacy of MACI are significantly influenced by its interaction with plasma proteins, especially bovine serum albumin (BSA). In this study, spectroscopic (fluorescence and UV–visible absorption spectroscopy), electrochemical, and computational techniques were applied to explore the binding properties and interaction mechanisms between MACI and BSA. The results indicated that the MACI quenched BSA fluorescence through a static mechanism. The interaction possessed a moderate binding affinity with Ka values ranging from 1.27 × 104 to 7.25 × 104 M−1 at different temperatures. Hydrophobic forces and hydrogen bonds were identified as critical factors in stabilizing the complex based on thermodynamic parameters. The local environment of tryptophan residues in BSA was found to be altered following the addition of MACI, as revealed by synchronous and three-dimensional fluorescence spectra. The spectroscopic studies were supported by electrochemical analyses, which indicated the formation of an electro-inactive complex between MACI and BSA. From the molecular docking experiments, the most likely binding site for MACI was found to be site I of BSA. Several hydrogen bonds and hydrophobic contacts were observed during the interaction of MACI with site I of BSA. These findings provided detailed insight to understand the binding properties of MACI to BSA, which may be beneficial for medical and pharmaceutical applications in the future. © 2025 Elsevier B.V.

关键词： Hydrogen bonds

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BERT-based Topic Modeling Approach for Malaria Research Publication

BERT-based Topic Modeling Approach for Malaria Research Publ...

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International Conference on Informatics, Multimedia, Cyber and Information System (ICIMCIS)

作者： Alam Ahmad Hidayat Rudi Nirwantono Arif Budiarto Bens Pardamean Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia Computer Science Department BINUS Graduate Program – Master of Computer Science Bina Nusantara University Jakarta Indonesia

ISBN: (纸本)9781665473286

Malaria is a communicable disease with half of the global population at risk due to its high morbidity and mortality rates. A massive number of studies are dedicated to malaria research, so it plays a key role in formulating the proper prevention strategy and effective malaria treatment. With the overwhelming number of updated publications in the field, an unsupervised text mining approach such as topic modeling may provide an alternative method for the malaria researcher to keep pace with new insights. In this work, we collect metadata of malaria publications from the PubMed database to perform BERT-based topic modeling to find well-defined topics regarding malaria research. The method is largely based on the popular BERTopic pipeline. We compare the performance of three different language models to generate document embeddings from the data. The dimension reduction and the density-based clustering algorithm are used to cluster the embeddings. The topic representation is computed based on the semantic similarity of the class TF-IDF representation. The substance of the resulting topics is then manually annotated based on the top words of each topic. We demonstrate that by merging initial topics into larger topics using hierarchical clustering and manual content-based examination, the evaluated coherence measure can be further improved, thus enhancing the topic's interpretability. Our modeling result is able to extract ten major topics recurring in the malaria research publication published from 2017–2022. The result provides preliminary insight to understand the dynamics and patterns of malaria research over the years

关键词： Text mining Heuristic algorithms Multimedia systems Time series analysis Sociology Semantics Pipelines

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Database Design for Pre-Eclampsia Case Administration

Database Design for Pre-Eclampsia Case Administration

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Information Technology and Digital Applications (ICITDA), IEEE International Conference on

作者： Faisal Asadi Gregorius Natanael Elwirehardja Joko Pebrianto Trinugroho Reza Rahutomo Bens Pardamean Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Information System Department School of Information Systems Bina Nusantara University Jakarta Indonesia Computer Science Department BINUS Graduate Program Master of Computer Science Bina Nusantara University Jakarta Indonesia

The Ministry of Health of Indonesia has referred to pre-eclampsia as one of the most severe diseases affecting women. As an urgency, it is crucial to administrate pre-eclampsia cases for disease prevention as a long-term national healthcare strategy. Regarding health science, case data was significant in developing research and innovation. However, the main problem regarding pre-eclampsia case administration is data handling, recording, and management incompetence. Hence, this research proposed a conceptual design of a database for pre-eclampsia case administration. The proposed design covered conceptual, logical, and physical design. We elaborate the concept into three concepts of pre-eclampsia disease: pre-treatment, treatment, and post-treatment. This study proposed a solution to gain more data and study pre-eclampsia disease in Indonesia.

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A Design of Childhood Stunting Assessment Feature with Agile UX Approach

A Design of Childhood Stunting Assessment Feature with Agile...

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HCI and UX Conference in Indonesia (CHIuXiD), International

作者： Reza Rahutomo Anzaludin Samsinga Perbangsa Faisal Asadi Rudi Nirwantono Bens Pardamean Information Systems Department School of Information Systems Bina Nusantara University Jakarta Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Computer Science Department BINUS Graduate Program – Master of Computer Science Bina Nusantara University Jakarta Indonesia

ISBN: (纸本)9781665476652

multidisciplinary collaboration between public health, system engineering, and UX is able to generate a solution in healthcare problem like stunting. The principle of Agile UX gathers requirements to generate an application design. Currently, various website and mobile applications are available to be utilized for stunting research. StuntingDB is one of many web-based applications that specialized in stunting data management. The application required several types of users to operate hierarchically. This research focused on Public Health Officers’ workflow that require a solution to in the form of assessment module for stunting DBMS by using Agile UX principle. The method collaborates agile team and UX team to solve Public Health Officer's difficulty in changing stunting status at pre-saved child patient's profile. Collaboration of both agile team and UX team successfully proposed an application design that system design.

关键词： Human computer interaction Pediatrics Collaboration Companies Mobile applications Public healthcare System analysis and design

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Identification of Meteorological Parameters Affecting Dengue Hemorrhagic Fever Incidences

Identification of Meteorological Parameters Affecting Dengue...

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International Conference on Informatics, Multimedia, Cyber and Information System (ICIMCIS)

作者： Faisal Asadi Joko Pebrianto Trinugroho Alam Ahmad Hidayat Reza Rahutomo Bens Pardamean Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Information System Department School of Information Systems Bina Nusantara University Jakarta Indonesia Computer Science Department BINUS Graduate Program Master of Computer Science Bina Nusantara University Jakarta Indonesia

ISBN: (纸本)9781665473286

Tropical disease is one of the infectious diseases that affect Indonesia. Many people die because of tropical diseases, such as dengue hemorrhagic fever (DHF), chikungunya, leprosy, lymphatic, and filariasis. The Indonesian government's lack of public policy is the main problem in treating and preventing tropical diseases. The paper aims to describe the analysis results of the incidence of DHF in Jakarta, Indonesia. The analysis used the DHF incidences data from the Jakarta Health service surveillance office representative and combined it with the meteorological parameters data. The meteorological parameters were collected from the Bureau of Meteorological Climatology and Geophysics (BMKG). The statistical analysis of this research used Pearson's correlation. The results show that the meteorological parameters affecting DHF incidences are temperature, humidity, and wind speed.

关键词： Correlation Statistical analysis Wind speed Surveillance Multimedia systems Sociology Humidity

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Machine Learning Implementations in Childhood Stunting Research: A Systematic Literature Review

Machine Learning Implementations in Childhood Stunting Resea...

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International Conference on Information Management and Technology (ICIMTech)

作者： Reza Rahutomo Gregorius Natanael Elwirehardja Mahmud Isnan Faisal Asadi Bens Pardamean Information Systems Department School of Information Systems Bina Nusantara University Jakarta Indonesia Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Computer Science Department BINUS Graduate Program - Master of Computer Science Bina Nusantara University Jakarta Indonesia

Childhood stunting is a condition anticipated to affect the growth potential of children under the age of five. With numerous stunting researches that have been conducted, stunting datasets are now widely available to facilitate stunting research. This provides an opportunity to implement machine learning (ML) principles to produce a broader insight or a novel technique in stunting prediction. A systematic literature review is necessary to discover the landscape of machine learning implementation in the application domain as a preliminary study for creating an effective research roadmap. This paper presents a systematic literature review (SLR) of 22 curated manuscripts that focuses on identifying the ML models applied in stunting research, as well as the datasets used in such studies that were published during 2017–2022. The SLR process found that ML principles have been applied in stunting research since 2017, and the diversity of ML implementation has become more varied in 2021–2022. In terms of ML models, XGBoost and Random Forest are recognized as the two most utilized models, and stunting prediction is the most common ML implementation. The majority of stunting research utilizing ML has been conducted in Indonesia. Although national survey data has been the most commonly utilized dataset in stunting research, researchers in Indonesia have shown a preference for utilizing data from regional or independent surveys. This study will be followed by developing a classifier model for stunted children using XGBoost and Random Forest algorithms. The model will be trained on a dataset generated from StuntingDB.

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